Glycoside
GD123066
Name:
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4a,8a-dihydro-4H-chromen-4-oneFormula:
C21H22O12Smiles:
O=C1C(OC2OC(CO)C(O)C(O)C2O)=C(c2ccc(O)c(O)c2)OC2C=C(O)C=C(O)C12Aglycone:
O=C1C(O)=C(c2ccc(O)c(O)c2)OC2C=C(O)C=C(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.38 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 4 |
| MolWt: | 466.4 | Num_heavy_atoms: | 33 |
| TPSA: | 206.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD49639
Formula: C15H12O7
Smiles:
O=C1C(O)=C(c2ccc(O)c(O)c2)OC2C=C(O)C=C(O)C12| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.13 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 1 |
| MolWt: | 304.25 | Num_heavy_atoms: | 22 |
| TPSA: | 127.45 | NumAromaticRings: | 1 |
